2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]ethanamide iodide

Systemtic Name: 2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-decoxyphenyl)-N-[(1-methyl-4-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-decoxyphenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide Formula: C29H45IN2O2 MolecularWeight: 580.58427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=[N+](C=C2)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=[N+](C=C2)C)C(C)(C)C.[I-]

InChI

InChI=1S/C29H44N2O2.HI/c1-6-7-8-9-10-11-12-13-20-33-27-15-14-25(21-26(27)29(2,3)4)22-28(32)30-23-24-16-18-31(5)19-17-24;/h14-19,21H,6-13,20,22-23H2,1-5H3;1H